Geometry & MOs

Info

ID:	307951
PubChem CID:	125310893
Reduced:	N2O7H20C23 (1)
Stoich.:	A2B7C20D23 (1)
Weight, g/mol:	469.13649
ΔH_f, kcal/mol:	-198.81
Dipole, Da:	7.48
IP(EA), eV:	-9.16(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylcarbamoyl]phenyl]-3-bromobenzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@H](CC1=C2C=C(C=CC2=NC1)O)C(=O)O)OC3=CC4=C(C=C3)C=CC(=O)O4

DOS

IR

Vibrations